5H3B
Crystal Structure of SeMet-BioG from Haemophilus influenzae at 1.49 Angstroms resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.154, 69.471, 72.034 |
Unit cell angles | 90.00, 93.15, 90.00 |
Refinement procedure
Resolution | 32.450 - 1.492 |
R-factor | 0.1479 |
Rwork | 0.147 |
R-free | 0.18160 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.126 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.8.4_1496) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.450 | 32.450 | 1.540 |
High resolution limit [Å] | 1.490 | 3.210 | 1.490 |
Rmerge | 0.082 | 0.048 | 0.690 |
Number of reflections | 70407 | ||
<I/σ(I)> | 10.9 | ||
Completeness [%] | 99.6 | 99.6 | 96.38 |
Redundancy | 7.4 | 7.4 | 6.5 |
CC(1/2) | 0.998 | 0.998 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 10%(v/v) iso-propanol, 0.1M citric acid/sodium citrate pH 5.6, 22% PEG 4000 |